N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide

C13H10F3NO3 — CID 19764146

IUPACN-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide
SMILESCC(=O)NC1=C(c2cccc(C(F)(F)F)c2)C(=O)OC1
InChIInChI=1S/C13H10F3NO3/c1-7(18)17-10-6-20-12(19)11(10)8-3-2-4-9(5-8)13(14,15)16/h2-5H,6H2,1H3,(H,17,18)
InChIKeyXVVXUBMBICJQGY-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.11
Rot. Bonds2

About N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide

N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide (PubChem CID 19764146) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide
PubChem CID19764146
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC NameN-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide
SMILESCC(=O)NC1=C(c2cccc(C(F)(F)F)c2)C(=O)OC1
InChIInChI=1S/C13H10F3NO3/c1-7(18)17-10-6-20-12(19)11(10)8-3-2-4-9(5-8)13(14,15)16/h2-5H,6H2,1H3,(H,17,18)
InChIKeyXVVXUBMBICJQGY-UHFFFAOYSA-N
XLogP2.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide?
The IUPAC name of N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide (CID 19764146) is N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide.
What is the SMILES notation for N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide?
The canonical SMILES for N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide is CC(=O)NC1=C(c2cccc(C(F)(F)F)c2)C(=O)OC1.
What is the InChIKey of N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide?
The InChIKey is XVVXUBMBICJQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c1-7(18)17-10-6-20-12(19)11(10)8-3-2-4-9(5-8)13(14,15)16/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide?
N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide has a molecular weight of 285.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide is sourced from PubChem (CID 19764146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).